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Vibration-rotation bands in ethane
Authors:MARTIN HEPP  MICHEL HERMAN
Institution:1. Physikalisches Institut, Universit?t zu K?ln, Zülpicher , Str. 77, D-50937, K?ln, Germany;2. Laboratoire de Chimie Physique Moléculaire CP160/09 , Université Libre de Bruxelles , Ave. Roosevelt 50, B-1050, Bruxelles, Belgium
Abstract:The absorption spectrum of ethane was recorded at 0.014 cm?1 resolution in the range 4500–6500 cm?1 using a Fourier transform spectrometer and at room temperature. Eighteen bands could be identified and their type assigned. Upper state rotational constants are provided for the band at 5948.338 cm?1 and Coriolis constants are obtained for most perpendicular bands. Vibrational assignments are suggested for the bands at 5948 cm?1 (v7 + v10), 5914 cm?1(v8 + v 10+ v 11), and 5852cm?1 (v 5+v 10). All vibrational bands reported in the literature are gathered.
Keywords:electron correlation  multireference  Brillouin–Wigner  perturbation theory  Bergman reaction
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